Materials Data on AsC2S2(OF3)3 by Materials Project
Abstract
(CF2)2AsSOF5SO2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight difluoromethane molecules, four sulfur dioxide molecules, and four AsSOF5 clusters. In each AsSOF5 cluster, As5+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The As–O bond length is 2.02 Å. There are a spread of As–F bond distances ranging from 1.74–1.77 Å. S1+ is bonded in a single-bond geometry to one O2- atom. The S–O bond length is 1.55 Å. O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one S1+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-558687
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; AsC2S2(OF3)3; As-C-F-O-S
- OSTI Identifier:
- 1270449
- DOI:
- https://doi.org/10.17188/1270449
Citation Formats
The Materials Project. Materials Data on AsC2S2(OF3)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270449.
The Materials Project. Materials Data on AsC2S2(OF3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1270449
The Materials Project. 2020.
"Materials Data on AsC2S2(OF3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1270449. https://www.osti.gov/servlets/purl/1270449. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1270449,
title = {Materials Data on AsC2S2(OF3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(CF2)2AsSOF5SO2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight difluoromethane molecules, four sulfur dioxide molecules, and four AsSOF5 clusters. In each AsSOF5 cluster, As5+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The As–O bond length is 2.02 Å. There are a spread of As–F bond distances ranging from 1.74–1.77 Å. S1+ is bonded in a single-bond geometry to one O2- atom. The S–O bond length is 1.55 Å. O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one S1+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.},
doi = {10.17188/1270449},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}